1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole

C20H23N3 — CID 112717132

IUPAC1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
SMILESCCCc1ccc(CCc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-17-9-11-18(12-10-17)13-14-20-16-23(22-21-20)15-19-7-4-3-5-8-19/h3-5,7-12,16H,2,6,13-15H2,1H3
InChIKeyLAIFZYUKCDRQNI-UHFFFAOYSA-N
MW305.43 g/mol
LogP4.06
Rot. Bonds7

About 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole

1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole (PubChem CID 112717132) has the molecular formula C20H23N3 and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole.

Molecular Properties

Compound Name1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
PubChem CID112717132
Molecular FormulaC20H23N3
Molecular Weight305.43 g/mol
Exact Mass305.19
IUPAC Name1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole
SMILESCCCc1ccc(CCc2cn(Cc3ccccc3)nn2)cc1
InChIInChI=1S/C20H23N3/c1-2-6-17-9-11-18(12-10-17)13-14-20-16-23(22-21-20)15-19-7-4-3-5-8-19/h3-5,7-12,16H,2,6,13-15H2,1H3
InChIKeyLAIFZYUKCDRQNI-UHFFFAOYSA-N
XLogP4.06
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole?
The IUPAC name of 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole (CID 112717132) is 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole.
What is the SMILES notation for 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole?
The canonical SMILES for 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole is CCCc1ccc(CCc2cn(Cc3ccccc3)nn2)cc1.
What is the InChIKey of 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole?
The InChIKey is LAIFZYUKCDRQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3/c1-2-6-17-9-11-18(12-10-17)13-14-20-16-23(22-21-20)15-19-7-4-3-5-8-19/h3-5,7-12,16H,2,6,13-15H2,1H3.
What are the key properties of 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole?
1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole has a molecular weight of 305.43 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[2-(4-propylphenyl)ethyl]triazole is sourced from PubChem (CID 112717132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).